N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-imidazol-1-yl-1-phenyl-ethanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-imidazol-1-yl-1-phenyl-ethanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-imidazol-1-yl-1-phenyl-ethanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1-imidazolyl)-1-phenylethanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-imidazol-1-yl-1-phenylethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2-imidazol-1-yl-1-phenyl-ethyl)amine Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-2-4-16(5-3-1)19(13-27-9-8-23-14-27)24-11-18-12-25-26-22(18)17-6-7-20-21(10-17)29-15-28-20/h1-10,12,14,19,24H,11,13,15H2,(H,25,26)